Vitas-M small molecule compound

ethyl 4,5-dimethyl-2-{[(E)-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)methylidene]amino}thiophene-3-carboxylate

Catalog ID
STL389294
SMILES CCOC(=O)c1c(/N=C/C2C(=NN(C2=O)c2ccccc2)C)sc(c1C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C20H21N3O3S MW 383.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O3S/c1-5-26-20(25)17-12(2)14(4)27-18(17)21-11-16-13(3)22-23(19(16)24)15-9-7-6-8-10-15/h6-11,16H,5H2,1-4H3/b21-11+
InChIKey
WSXQULLQWIVCAR-SRZZPIQSSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C)C)N=CC2C(=NN(C2=O)C3=CC=CC=C3)C
CCOC(=O)c1c(N=CC2C(=NN(C2=O)c2ccccc2)C)sc(c1C)C
ethyl45dimethyl2(((E)(3methyl5oxo1phenyl45dihydro1Hpyrazol4yl)methylidene)amino)thiophene3carboxylate
ethyl45dimethyl2((E)(3methyl5oxo1phenyl4Hpyrazol4yl)methylideneamino)thiophene3carboxylate
InChI=1SC20H21N3O3Sc152620(25)1712(2)14(4)2718(17)21111613(3)2223(19(16)24)1597681015h61116H5H214H3b2111+
MFCD06810044
ZINC000017994120
ZINC000100944397

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.